EGF-00921 Yellow
N#Cc1ccc(N2CCN(Cc3ccc(Br)c(Br)c3)CC2)cc1Cl
0.546
Platform Score
2D Structure
C18H16Br2ClN3 | Exact mass: 466.9399
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
30
TPSA
470
MW
0
HBD
5.1
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (PDB: 1M17) |
| Selective | No |
Selectivity Profile
ADMET Profile
| BBB (BOILED-Egg) | BBB- (non-penetrant) |
| ADMET Status | Pass (no hard fails) |
CNS Drug-Likeness
Physicochemical Properties
| Molecular Weight | 469.60 Da |
| TPSA | 30.3 A^2 |
| HBD | 0 |
| HBA | 3 |
| SlogP | 5.06 |
| Fsp3 | 0.278 |
| Rotatable Bonds | 3 |
| Rings | 3 (2 aromatic) |
| QED | 0.630 |
| SA Score | 2.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H16Br2ClN3 |
| Exact Mass | 466.9399 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |